SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2xci'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		5 / 12 ILE A 183
LEU A 319
VAL A 316
LEU A 315
ILE A 261
 None
 0.90A 1df7A-2xciA:
undetectable		 1df7A-2xciA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		6 / 12 VAL A 241
VAL A 188
LEU A 192
ILE A 261
GLY A 181
LEU A 209
 None
 1.49A 1eqhA-2xciA:
undetectable		 1eqhA-2xciA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I18_A_RBFA98_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		5 / 10 LEU A 205
LEU A 323
ILE A 285
PHE A 229
ILE A 191
 None
 1.43A 1i18A-2xciA:
undetectable
1i18B-2xciA:
undetectable		 1i18A-2xciA:
13.60
1i18B-2xciA:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		5 / 12 GLY A 271
VAL A 293
LEU A 274
LEU A 250
HIS A 184
 None
None
None
None
GOL  A1357 (-3.9A)
 1.50A 1mx1E-2xciA:
2.6		 1mx1E-2xciA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX3_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		3 / 3 LYS A 318
ILE A 178
THR A 201
 None
 0.83A 1rx3A-2xciA:
undetectable		 1rx3A-2xciA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_A_MK1A901_2
(POL POLYPROTEIN)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		3 / 3 ASP A 226
VAL A 188
PRO A 211
 None
 0.69A 2avvA-2xciA:
undetectable		 2avvA-2xciA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DQY_C_CHDC3_0
(LIVER
CARBOXYLESTERASE 1)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		4 / 6 LEU A  74
LEU A 105
PRO A  91
VAL A 111
 None
 1.12A 2dqyC-2xciA:
2.8		 2dqyC-2xciA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRC_A_CHDA703_0
(FERROCHELATASE)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		4 / 4 LEU A 209
PRO A 211
LEU A 243
ARG A 225
 None
 1.35A 2hrcA-2xciA:
undetectable		 2hrcA-2xciA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		5 / 11 PHE A 247
LEU A 274
ILE A 261
ALA A 260
LEU A 250
 None
 1.35A 2v0mA-2xciA:
undetectable		 2v0mA-2xciA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_B_SVRB501_2
(PHOSPHOLIPASE A2)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		5 / 11 LEU A 300
GLY A 306
ILE A 285
PRO A 288
THR A 290
 None
 1.14A 3bjwB-2xciA:
0.8		 3bjwB-2xciA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_E_SVRE503_1
(PHOSPHOLIPASE A2)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		5 / 11 LEU A 300
GLY A 306
ILE A 285
PRO A 288
THR A 290
 None
 1.12A 3bjwE-2xciA:
undetectable		 3bjwE-2xciA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_F_SVRF502_3
(PHOSPHOLIPASE A2)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		5 / 12 LEU A 300
GLY A 306
ILE A 285
PRO A 288
THR A 290
 None
 1.11A 3bjwF-2xciA:
undetectable		 3bjwF-2xciA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		5 / 11 LEU A 300
GLY A 306
ILE A 285
PRO A 288
THR A 290
 None
 1.06A 3bjwH-2xciA:
undetectable		 3bjwH-2xciA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYX_A_ROCA201_3
(HIV-1 PROTEASE)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		5 / 12 GLY A 181
ALA A 180
ILE A 259
GLY A 257
VAL A 256
 None
 0.89A 3cyxB-2xciA:
undetectable		 3cyxB-2xciA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCO_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		4 / 4 LEU A 209
PRO A 211
LEU A 243
ARG A 225
 None
 1.29A 3hcoB-2xciA:
3.2		 3hcoB-2xciA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXW_D_017D200_1
(HIV-1 PROTEASE)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		5 / 10 GLY A 181
ALA A 180
ILE A 259
GLY A 257
VAL A 256
 None
 0.92A 3oxwC-2xciA:
undetectable		 3oxwC-2xciA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SJ0_X_DXCX75_0
(CYTOCHROME C7)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		4 / 7 ILE A 171
LYS A 258
PHE A 177
GLY A 175
 None
 1.10A 3sj0X-2xciA:
undetectable		 3sj0X-2xciA:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		4 / 5 ILE A  95
VAL A 116
PHE A 163
HIS A  46
 None
 1.28A 4rzvA-2xciA:
undetectable		 4rzvA-2xciA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UY8_7_TRP71002_0
(TRYPTOPHANASE)		 2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE
(Aquifex
aeolicus) 		4 / 4 ILE A 219
ASN A 216
ILE A 183
VAL A 188
 None
GOL  A1357 (-3.1A)
None
None
 1.13A 4uy87-2xciA:
undetectable		 4uy87-2xciA:
6.01